SCHEMBL7213850

SCHEMBL7213850

Cc1c(Br)cnc2c1CCN2

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 3/20 0.55
▸ PARP10 Q53GL7 6/20 0.35
▸ PARP11 Q9NR21 6/20 0.35
▸ UHRF1 Q96T88 1/20 0.33
▸ DRD1 P21728 2/20 0.32
▸ GRM5 P41594 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16195616 0.89 NNMT (0.45) NNMTUHRF1
SCHEMBL25795779 0.78 NNMT (0.55) NNMTPARP10PARP11UHRF1DRD1
SCHEMBL14498838 0.78 NNMT (0.59) NNMTPARP10PARP11UHRF1DRD1
SCHEMBL13996732 0.78 NNMT (0.55) NNMTPARP10PARP11GRM5
SCHEMBL1368910 0.76 NNMT (0.35) NNMT
SCHEMBL7214252 0.75 NNMT (0.53) NNMTPARP10PARP11UHRF1DRD1
SCHEMBL13991574 0.75 PARP10 (0.42) NNMTPARP10PARP11DRD1GRM5
SCHEMBL12146612 0.74 NNMT (0.38) NNMTPARP10PARP11
SCHEMBL25787743 0.71 NNMT (1.00) NNMTPARP10PARP11DRD1
SCHEMBL12605346 0.70 NNMT (0.55) NNMTPARP10PARP11UHRF1DRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 — — US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 — — EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 — — EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 — — WO disclosed
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